4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide

C21H21N5O — CID 117083427

IUPAC4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
SMILESNc1nc(NCc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C21H21N5O/c22-21-25-18(12-19(26-21)23-13-14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(27)24-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,24,27)(H3,22,23,25,26)
InChIKeyKMGPSEVZGXSOLD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.23
Rot. Bonds6

About 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide

4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide (PubChem CID 117083427) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
PubChem CID117083427
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
SMILESNc1nc(NCc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C21H21N5O/c22-21-25-18(12-19(26-21)23-13-14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(27)24-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,24,27)(H3,22,23,25,26)
InChIKeyKMGPSEVZGXSOLD-UHFFFAOYSA-N
XLogP3.23
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-benzyl-N-cyclopropylbenzamide
CID 45086871
4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 122571443
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 70778971
6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
CID 46215810
4-[6-(benzylamino)-9-phenylpurin-2-yl]-N-cyclopropylbenzamide
CID 117086485
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide (CID 117083427) is 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide is Nc1nc(NCc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The InChIKey is KMGPSEVZGXSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-21-25-18(12-19(26-21)23-13-14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(27)24-17-10-11-17/h1-9,12,17H,10-11,13H2,(H,24,27)(H3,22,23,25,26).
What are the key properties of 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 117083427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).